SCHEMBL2645797

SCHEMBL2645797

Fc1ccc(-c2nncc(-c3ccc(F)c(-c4ccncc4F)c3)n2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.49
GABRB3 P28472 13/20 0.49
GABRA5 P31644 13/20 0.49
GABRA3 P34903 13/20 0.49
GABRA1 P14867 9/20 0.49
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA2 P47869 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.35
RPS6KA3 P51812 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NUDT1 P36639 1/20 0.33
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2645113 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2645812 0.85 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2644646 0.85 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2645638 0.80 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2644505 0.79 RPS6KA3 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2644499 0.79 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2644651 0.79 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2645249 0.79 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2644672 0.79 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2645305 0.78 TRPA1 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US claimed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 GABRG2 15/4885GABRB3 10/4885GABRA5 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.